(6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine

C11H21N3S — CID 163605735

IUPAC(6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
SMILESCCCN[C@]1(C)CCC2=C(C1)SC(N)N2
InChIInChI=1S/C11H21N3S/c1-3-6-13-11(2)5-4-8-9(7-11)15-10(12)14-8/h10,13-14H,3-7,12H2,1-2H3/t10?,11-/m1/s1
InChIKeyYJLTVOTWJAEHGO-RRKGBCIJSA-N
MW227.38 g/mol
LogP1.72
Rot. Bonds3

About (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine

(6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine (PubChem CID 163605735) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name(6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
PubChem CID163605735
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name(6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine
SMILESCCCN[C@]1(C)CCC2=C(C1)SC(N)N2
InChIInChI=1S/C11H21N3S/c1-3-6-13-11(2)5-4-8-9(7-11)15-10(12)14-8/h10,13-14H,3-7,12H2,1-2H3/t10?,11-/m1/s1
InChIKeyYJLTVOTWJAEHGO-RRKGBCIJSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
The IUPAC name of (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine (CID 163605735) is (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine is CCCN[C@]1(C)CCC2=C(C1)SC(N)N2.
What is the InChIKey of (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
The InChIKey is YJLTVOTWJAEHGO-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-6-13-11(2)5-4-8-9(7-11)15-10(12)14-8/h10,13-14H,3-7,12H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine?
(6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-6-N-propyl-3,4,5,7-tetrahydro-2H-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 163605735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).